chempirical

Deoxyadenosine monophosphate

C10H14N5O6PCAS 653-63-4331.22 g/mol

Open in Covalent MOL file
H2NNNNNOHOPOOHOHO
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H14N5O6P
Molar mass
331.22 g/mol
Exact mass
331.0682 Da
logP
-0.83Crippen estimate
Polar surface area
165.8 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
653-63-4
SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1
InChIKey
KHWCHTKSEGGWEX-RRKCRQDMSA-N
InChI
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • 5′-Adenylic acid, 2′-deoxy-
  • Adenosine, 2′-deoxy-, 5′-(dihydrogen phosphate)
  • 2′-Deoxy-5′-adenylic acid
  • 2′-Deoxyadenosine 5′-phosphate
  • 2′-Deoxyadenylic acid
  • 2′-Deoxyadenosine monophosphate
  • dAMP
  • Deoxyadenylic acid
  • 2′-Deoxyadenosine 5′-monophosphate
  • Deoxyadenosine 5′-phosphate
  • Deoxyadenosine 5′-monophosphate
  • Deoxy-AMP
  • 2′-Deoxy-AMP
  • PdA
  • 2′-Deoxy-5′-AMP
  • NSC 77680
  • NSC 82625
  • 5′-dAMP

Work with Deoxyadenosine monophosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Deoxyadenosine triphosphate1927-31-780 % similar Adenosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, disodium salt74299-50-675 % similar Deoxyadenosine 5′-monophosphate disodium salt2922-74-973 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-968 % similar Vidarabine phosphate29984-33-668 % similar Adenosine monophosphate61-19-868 % similar Deoxyadenosine958-09-867 % similar Adenosine diphosphate58-64-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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